N-{{2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-phenyl}(thiocarbamoyl)}glycine, ethyl ester (HCID 20695538)

기본 정보

표준 SMILES: CCOC(=O)CNC(=S)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl
InChIKey: BOYAFWPAYJSYID-UHFFFAOYSA-N
분자식: C17H15ClF4N4O4S
평균 분자량: 482.8 g/mol

이름 및 식별자

우선 이름: N-{{2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-phenyl}(thiocarbamoyl)}glycine, ethyl ester
IUPAC: ethyl 2-[[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]carbamothioylamino]acetate

이름 및 동의어

N-{{2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-phenyl}(thiocarbamoyl)}glycine, ethyl esterN-{{2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl}(thiocarbamoyl)}glycine, ethyl ester

데이터베이스 식별자

PubChem CID: 20695538

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 123 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 9
회전 가능 결합 수: 6
무거운 원자 수: 31
형식 전하: 0
복잡도: 782

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